(E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide

C15H20ClNO2 — CID 103771519

IUPAC(E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide
SMILESCC(C)CC(O)CNC(=O)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-11(2)8-14(18)10-17-15(19)7-6-12-4-3-5-13(16)9-12/h3-7,9,11,14,18H,8,10H2,1-2H3,(H,17,19)/b7-6+
InChIKeyTUFQSCZWJXPVOW-VOTSOKGWSA-N
MW281.78 g/mol
LogP2.88
Rot. Bonds6

About (E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide

(E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide (PubChem CID 103771519) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide
PubChem CID103771519
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide
SMILESCC(C)CC(O)CNC(=O)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-11(2)8-14(18)10-17-15(19)7-6-12-4-3-5-13(16)9-12/h3-7,9,11,14,18H,8,10H2,1-2H3,(H,17,19)/b7-6+
InChIKeyTUFQSCZWJXPVOW-VOTSOKGWSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide
CID 103771463
(E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418514
(2R)-2-[3-(3-chlorophenyl)prop-2-enoylamino]-4-methylpentanoic acid
CID 78975676
(E)-3-(3-chlorophenyl)-N-[7-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]heptyl]prop-2-enamide
CID 6167041
N-butan-2-yl-3-(3-chlorophenyl)prop-2-enamide
CID 4106127
(E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide
CID 115636575
3-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 896013
(E)-3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]prop-2-enamide
CID 83058983
(E)-N-(2-hydroxy-4-methylpentyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 103771207
1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 110909987
3-(3-chloro-4-methylphenyl)-N-(2,3-dihydroxypropyl)prop-2-enamide
CID 77114123
4-[3-(3-chlorophenyl)prop-2-enoylamino]butanoic acid
CID 74868291

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide (CID 103771519) is (E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide is CC(C)CC(O)CNC(=O)/C=C/c1cccc(Cl)c1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide?
The InChIKey is TUFQSCZWJXPVOW-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11(2)8-14(18)10-17-15(19)7-6-12-4-3-5-13(16)9-12/h3-7,9,11,14,18H,8,10H2,1-2H3,(H,17,19)/b7-6+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide has a molecular weight of 281.78 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide is sourced from PubChem (CID 103771519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).